Table 2. Experimental details.
Crystal data | |
Chemical formula | [Cu(ClO4)(C8H20N4)]ClO4 |
M r | 434.72 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 173 |
a, b, c (Å) | 8.9387 (2), 15.0607 (4), 11.9235 (3) |
β (°) | 92.949 (1) |
V (Å3) | 1603.05 (7) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 1.74 |
Crystal size (mm) | 0.23 × 0.21 × 0.18 |
Data collection | |
Diffractometer | Bruker SMART APEXII CCD |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2014 ▸) |
T min, T max | 0.667, 0.747 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 43306, 7519, 6655 |
R int | 0.021 |
(sin θ/λ)max (Å−1) | 0.830 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.025, 0.068, 1.02 |
No. of reflections | 7519 |
No. of parameters | 221 |
No. of restraints | 6 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.60, −0.44 |